physics.chem-ph · 2026-09-09 · No. 110

Chemical Physics, 2026-09-09.

1 new papers in physics.chem-ph. Titles, authors, abstracts. Links to arXiv. Want this in your inbox every morning? Subscribe →

01 — The papers

1 entries
  1. 01

    Fixed-Dimensional Latent Flow for Generating Variable-Size 3D Molecules

    Weichi Yao, Cameron Gruich, Bryan R. Goldsmith, Yixin Wang

    physics.chem-ph · cs.LG · q-bio.QM

    In molecular discovery, molecule size is coupled to composition, structure, and other target properties. Yet most 3D generators require molecule size to be specified before generation. Here, we introduce Equivariant-Free Transformer-Autoencoded Latent Flow Matching, a two-stage generative framework that relies entirely on a single fixed-dimensional molecule-level latent representation to generate variable-size molecules. The second-stage flow...

    arxiv.org/abs/2609.08333 · PDF

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